N-cyclohexyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carboxamide

C19H22N2O2 — CID 4153589

IUPACN-cyclohexyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2cccc3c2n(c1=O)CCC3
InChIInChI=1S/C19H22N2O2/c22-18(20-15-9-2-1-3-10-15)16-12-14-7-4-6-13-8-5-11-21(17(13)14)19(16)23/h4,6-7,12,15H,1-3,5,8-11H2,(H,20,22)
InChIKeyNHMFDJPQBRMFPH-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.01
Rot. Bonds2

About N-cyclohexyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carboxamide

N-cyclohexyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carboxamide (PubChem CID 4153589) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-cyclohexyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carboxamide
PubChem CID4153589
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-cyclohexyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2cccc3c2n(c1=O)CCC3
InChIInChI=1S/C19H22N2O2/c22-18(20-15-9-2-1-3-10-15)16-12-14-7-4-6-13-8-5-11-21(17(13)14)19(16)23/h4,6-7,12,15H,1-3,5,8-11H2,(H,20,22)
InChIKeyNHMFDJPQBRMFPH-UHFFFAOYSA-N
XLogP3.01
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
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6-(azepan-1-yl)-N-cycloheptylpyridine-2-carboxamide
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N-cyclopentyl-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
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6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 84573746
N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221349
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carboxamide (CID 4153589) is N-cyclohexyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carboxamide is O=C(NC1CCCCC1)c1cc2cccc3c2n(c1=O)CCC3.
What is the InChIKey of N-cyclohexyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carboxamide?
The InChIKey is NHMFDJPQBRMFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-18(20-15-9-2-1-3-10-15)16-12-14-7-4-6-13-8-5-11-21(17(13)14)19(16)23/h4,6-7,12,15H,1-3,5,8-11H2,(H,20,22).
What are the key properties of N-cyclohexyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carboxamide?
N-cyclohexyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carboxamide is sourced from PubChem (CID 4153589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).